1-octan-4-yl-3,6-dihydro-2H-pyridine

C13H25N — CID 90965036

IUPAC1-octan-4-yl-3,6-dihydro-2H-pyridine
SMILESCCCCC(CCC)N1CC=CCC1
InChIInChI=1S/C13H25N/c1-3-5-10-13(9-4-2)14-11-7-6-8-12-14/h6-7,13H,3-5,8-12H2,1-2H3
InChIKeyMCRLAJJGSVISKE-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.61
Rot. Bonds6

About 1-octan-4-yl-3,6-dihydro-2H-pyridine

1-octan-4-yl-3,6-dihydro-2H-pyridine (PubChem CID 90965036) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-octan-4-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-octan-4-yl-3,6-dihydro-2H-pyridine
PubChem CID90965036
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-octan-4-yl-3,6-dihydro-2H-pyridine
SMILESCCCCC(CCC)N1CC=CCC1
InChIInChI=1S/C13H25N/c1-3-5-10-13(9-4-2)14-11-7-6-8-12-14/h6-7,13H,3-5,8-12H2,1-2H3
InChIKeyMCRLAJJGSVISKE-UHFFFAOYSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(4R)-octan-4-yl]azetidine
CID 170061956
1-octan-4-ylazonane
CID 123427772
methane;1-octan-4-ylpiperidine
CID 143122058
1-octadecan-4-ylaziridine
CID 87223215
1-decan-4-ylpiperidine
CID 142178259
1-octan-4-yl-3-propylpiperazine
CID 114138506
1-(3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine
CID 114410564
7-octan-4-yl-1,7-diazaspiro[3.5]nonane
CID 134177848
1-(1-bromoethyl)-3,6-dihydro-2H-pyridine
CID 174278669
1-hexadecan-5-ylpiperidine
CID 175488405
1-undecan-5-ylpiperidine
CID 174506253
N-methyl-1-(1-octan-4-ylpyrrolidin-3-yl)methanamine
CID 106019244

Frequently Asked Questions

What is the IUPAC name of 1-octan-4-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-octan-4-yl-3,6-dihydro-2H-pyridine (CID 90965036) is 1-octan-4-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-octan-4-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-octan-4-yl-3,6-dihydro-2H-pyridine is CCCCC(CCC)N1CC=CCC1.
What is the InChIKey of 1-octan-4-yl-3,6-dihydro-2H-pyridine?
The InChIKey is MCRLAJJGSVISKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-3-5-10-13(9-4-2)14-11-7-6-8-12-14/h6-7,13H,3-5,8-12H2,1-2H3.
What are the key properties of 1-octan-4-yl-3,6-dihydro-2H-pyridine?
1-octan-4-yl-3,6-dihydro-2H-pyridine has a molecular weight of 195.35 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octan-4-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 90965036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).